2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole

C16H12Br2N2 — CID 174433809

IUPAC2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole
SMILESBrc1ccc(CC2C=NC(c3ccccc3Br)=N2)cc1
InChIInChI=1S/C16H12Br2N2/c17-12-7-5-11(6-8-12)9-13-10-19-16(20-13)14-3-1-2-4-15(14)18/h1-8,10,13H,9H2
InChIKeyLPCKKEXIWWJIMG-UHFFFAOYSA-N
MW392.09 g/mol
LogP4.65
Rot. Bonds3

About 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole

2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole (PubChem CID 174433809) has the molecular formula C16H12Br2N2 and a molecular weight of 392.09 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole
PubChem CID174433809
Molecular FormulaC16H12Br2N2
Molecular Weight392.09 g/mol
Exact Mass389.94
IUPAC Name2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole
SMILESBrc1ccc(CC2C=NC(c3ccccc3Br)=N2)cc1
InChIInChI=1S/C16H12Br2N2/c17-12-7-5-11(6-8-12)9-13-10-19-16(20-13)14-3-1-2-4-15(14)18/h1-8,10,13H,9H2
InChIKeyLPCKKEXIWWJIMG-UHFFFAOYSA-N
XLogP4.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole?
The IUPAC name of 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole (CID 174433809) is 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole?
The canonical SMILES for 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole is Brc1ccc(CC2C=NC(c3ccccc3Br)=N2)cc1.
What is the InChIKey of 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole?
The InChIKey is LPCKKEXIWWJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2/c17-12-7-5-11(6-8-12)9-13-10-19-16(20-13)14-3-1-2-4-15(14)18/h1-8,10,13H,9H2.
What are the key properties of 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole?
2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole has a molecular weight of 392.09 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[(4-bromophenyl)methyl]-4H-imidazole is sourced from PubChem (CID 174433809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).